(2S)-2-[(5S,7R)-3-bromanyl-1-adamantyl]-2-oxidanyl-ethanoic acid

Systemtic Name: (2S)-2-[(5S,7R)-3-bromanyl-1-adamantyl]-2-oxidanyl-ethanoic acid Openeye Name: (2S)-2-[(5S,7R)-3-bromo-1-adamantyl]-2-hydroxy-acetic acid CAS Name: (2S)-2-[(5S,7R)-3-bromo-1-adamantyl]-2-hydroxyacetic acid IUPAC Name: (2S)-2-[(5S,7R)-3-bromo-1-adamantyl]-2-hydroxyacetic acid Traditional Name: (2S)-2-[(5S,7R)-3-bromo-1-adamantyl]-2-hydroxy-acetic acid Formula: C12H17BrO3 MolecularWeight: 289.16558

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Br)C(C(=O)O)O

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Br)[C@@H](C(=O)O)O

InChI

InChI=1S/C12H17BrO3/c13-12-4-7-1-8(5-12)3-11(2-7,6-12)9(14)10(15)16/h7-9,14H,1-6H2,(H,15,16)/t7-,8+,9-,11?,12?/m1/s1